Matrix Infrared Spectra and Density Functional Calculations of Co(CO)_x~- (x = 1, 2, 3, 4) Anions

Mingfei Zhou; Lester Andrews

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Matrix Infrared Spectra and Density Functional Calculations of Co(CO)_x~- (x = 1, 2, 3, 4) Anions

【24h】

Matrix Infrared Spectra and Density Functional Calculations of Co(CO)_x~- (x = 1, 2, 3, 4) Anions

机译：Co（CO）_x〜-（x = 1，2，3，4）阴离子的基质红外光谱和密度泛函计算

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Laser-ablated cobalt atoms have been reacted with CO molecules during condensation in excess argon. The CoCO molecule is observed after deposition, and Co(CO)_(2,3,4) are formed on annealing in agreement with earlier matrix work. Cobalt carbonyl anions are also produced and trapped. On the basis of isotopic substitution and density functional calculations, a sharp absorption at 1804.0 cm~(-1) is assigned to the C-O stretching mode of CoCO~-, 1768.9 and 1860.2 cm~(-1) bands to antisymmetric and symmetric C-O stretching vibrations of bent Co(CO)_2~-, and 1826.9 and 1890.0 cm~(-1) absorptions to the antisymmetric stretching modes of Co(CO)_3~- and Co(CO)_4~-, respectively.

机译：激光烧蚀后的钴原子在过量的氩气中冷凝期间已与CO分子反应。沉积后观察到CoCO分子，并且与早期基质工作一致，在退火过程中形成了Co（CO）_（2,3,4）。羰基钴阴离子也会产生并被捕获。根据同位素取代和密度泛函计算，在1804.0 cm〜（-1）处的急剧吸收被赋予了COCO〜-，1768.9和1860.2 cm〜（-1）波段的CO拉伸模式，以进行非对称和对称CO拉伸弯曲的Co（CO）_2〜-振动和1826.9和1890.0 cm〜（-1）吸收分别对Co（CO）_3〜-和Co（CO）_4〜-的反对称拉伸模式。

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第50期|共8页
作者
Mingfei Zhou; Lester Andrews;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词

相似文献

外文文献
中文文献
专利

1. Matrix Infrared Spectra and Density Functional Calculations of Manganese and Rhemium Carbonyl Neutral and Anion Complexes [J] . Lester Andrews, Mingfei Zhou, Xuefeng Wang, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2000,第39期

机译：锰和铑羰基中性和阴离子配合物的基体红外光谱和密度泛函计算
2. Infrared measurements of organic radical anions in solution using mid-infrared optical fibers and spectral analyses based on density functional theory calculations [J] . Sakamoto A, Kuroda M, Harada T, Journal of Molecular Structure . 2005,第0期

机译：使用中红外光纤对溶液中有机自由基阴离子的红外测量和基于密度泛函理论计算的光谱分析
3. Matrix Isolation Infrared Spectroscopic and Density Functional Theoretical Calculations of the GeO_2~- and GeO_4~- Anions [J] . Mingfei Zhou, Limin Shao, Lei Miao The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第27期

机译：GeO_2〜-和GeO_4〜-阴离子的基体隔离红外光谱和密度泛函理论计算
4. Ab-inito calculation of absolute infrared intensities and raman scattering activities: a density functional study [C] . Dirk Porezag, Mark R.Pederson Proceedings of the Science and Technology of Atomically Engineered Materials Richmond, Virginia, USA Oct 30-Nov 4 1995 . 1995

机译：从头计算绝对红外强度和拉曼散射活动：密度泛函研究
5. Study of the structure and reactivity of the radical cations and anions of cysteine, its derivatives, and cysteine-containing peptides using ion-molecule reactions, infrared multi-photon dissociation spectroscopy, and density functional theory calculations. [D] . Osburn, Sandra. 2013

机译：使用离子分子反应，红外多光子解离光谱和密度泛函理论计算研究半胱氨酸，其衍生物和含半胱氨酸的肽的自由基阳离子和阴离子的结构和反应性。
6. Mechanism for odd‐electron anion generation of dihydroxybenzoic acid isomers in matrix‐assisted laser desorption/ionization mass spectrometry with density functional theory calculations [O] . Tohru Yamagaki, Michika Takeuchi, Takehiro Watanabe, -1

机译：密度泛函理论计算的基质辅助激光解吸/电离质谱中二羟基苯甲酸异构体奇电子阴离子生成的机理
7. Absolute Configuration and Conformation Analysis of 1-Phenylethanol by Matrix-Isolation Infrared and Vibrational Circular Dichroism Spectroscopy Combined with Density Functional Theory Calculation [O] . -1

机译：基质隔离红外型红外振动圆形二色分子光谱结合密度泛函理论计算，1-苯基乙醇的绝对构象分析
8. Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), and Quaterrylene (C40H20) and their Positive and Negative Ions: Ne Matrix-Isolation Spectroscopy and Time Dependent Density Functional Theory Calculations [R] . Halasinski, Thomas M., Weisman, Jennifer L., Lee, Timothy J., 2002

机译：中性per（C20H12），三萘嵌苯（C30H16）和四萘嵌苯（C40H20）及其正离子和负离子的电子吸收光谱：Ne基质 - 分离光谱和时间依赖性密度泛函理论计算

Matrix Infrared Spectra and Density Functional Calculations of Co(CO)_x~- (x = 1, 2, 3, 4) Anions

摘要

著录项

相似文献

相关主题

期刊订阅